| General Property |
| Molceule ID (DB) | EGIN0004687 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(4-methoxyphenyl)prop-2-enamide |
| Formula | C24H19BrN4O2 |
| Mass | 475.337 |
| Exact Mass | 474.0691385 |
| Composition | C (60.64%), H (4.03%), Br (16.81%), N (11.79%), O (6.73%) |
| Atom Count | 50 |
| PI | 9.12 |
| Smiles | c1(ccc(cc1)OC)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br |
| InChI | 1S/C24H19BrN4O2/c1-31-20-9-5-16(6-10-20)7-12-23(30)28-19-8-11-22-21(14-19)24(27-15-26-22)29-18-4-2-3
-17(25)13-18/h2-15H,1H3,(H,28,30)(H,26,27,29)/b12-7+ |
| InChIKey | VQWBPRFGLQGDAV-KPKJPENVSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 21763148 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
56676438
|
| Drug Bank Link | - |
| ChemSpider Link | 26630975 |
| ChEMBL Link | CHEMBL1812435 |
